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Home > Bromides > 1261235-95-3
1261235-95-3 | [1-(5-Bromo-thiophene-2-sulfonyl)-piperidin-3-yl]-methyl-carbamic acid tert-butyl ester
CAS No: 1261235-95-3 Catalog No: AG01F39W MDL No:
Product Description
Catalog Number:
AG01F39W
Chemical Name:
[1-(5-Bromo-thiophene-2-sulfonyl)-piperidin-3-yl]-methyl-carbamic acid tert-butyl ester
CAS Number:
1261235-95-3
Molecular Formula:
C15H23BrN2O4S2
Molecular Weight:
439.3881
IUPAC Name:
tert-butyl N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-N-methylcarbamate
InChI:
InChI=1S/C15H23BrN2O4S2/c1-15(2,3)22-14(19)17(4)11-6-5-9-18(10-11)24(20,21)13-8-7-12(16)23-13/h7-8,11H,5-6,9-10H2,1-4H3
InChI Key:
FKLWZVWOFYZBMR-UHFFFAOYSA-N
SMILES:
O=C(N(C1CCCN(C1)S(=O)(=O)c1ccc(s1)Br)C)OC(C)(C)C
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.028g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
439.383g/mol
Monoisotopic Mass:
438.028g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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